SCHEMBL2561209

SCHEMBL2561209

CC(Cc1ccc(N)cc1)OC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 4/20 0.43
CYP2C9 P11712 3/20 0.43
TSHR P16473 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
EPHX1 P07099 1/20 0.42
ITGB1 P05556 2/20 0.42
ITGA5 P08648 2/20 0.42
MAPT P10636 1/20 0.42
SOAT1 P35610 1/20 0.41
CXCR1 P25024 3/20 0.41
CXCR2 P25025 3/20 0.41
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
PTGS1 P23219 3/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2747604 0.86 TAAR1 (0.53) LMNACYP2C9TSHRCHRM2CHRM4
SCHEMBL9136582 0.86 PPARG (0.44) NPC1RAB9ALMNACYP2C9TSHR
SCHEMBL2747602 0.86 TAAR1 (0.53) LMNACYP2C9TSHRCHRM2CHRM4
SCHEMBL28237997 0.85 SLC6A2 (0.50) NPC1RAB9ATSHRCHRM2CHRM4
SCHEMBL1811694 0.85 SLC6A2 (0.50) NPC1RAB9ATSHRCHRM2CHRM4
SCHEMBL28914994 0.85 SLC6A2 (0.50) NPC1RAB9ATSHRCHRM2CHRM4
SCHEMBL2512713 0.84 EPHX1 (0.49) NPC1RAB9ALMNACYP2C9TSHR
SCHEMBL9660791 0.84 SLC6A2 (0.52) LMNACYP2C9TSHRNFKB1PMP22
SCHEMBL16067482 0.84 TRPA1 (0.47) LMNACYP2C9TSHRCHRM2CHRM4
SCHEMBL114063 0.83 SRR (0.55) LMNATSHRPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560949-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE LSD1 AND/OR LSD2 Università degli Studi di Roma "La Sapienza" (IT) 2013-02-27 EP disclosed
WO-2011131576-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE LSD1 AND/OR LSD2 UNIVERSITÀ DEGLI STUDI DI ROMA "LA SAPIENZA" (IT) 2011-10-27 WO disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4156086-A INTERMEDIATES FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed
US-4038268-A DIAZOTIZATION, COUPLING BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed