SCHEMBL11050925

SCHEMBL11050925

C=CCn1cnc(-c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ GFER P55789 2/20 0.49
▸ MAOB P27338 1/20 0.42
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ F2RL3 Q96RI0 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MGAM O43451 1/20 0.35

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
SCHEMBL11043537 0.74 ALDH1A1 (0.49) ALDH1A1GFERMAOBMEN1KMT2A
SCHEMBL1539107 0.72 HPGDS (0.48) ALDH1A1RAB9AHPGDTDP1MAPT
SCHEMBL11043921 0.71 ALDH1A1 (0.49) ALDH1A1GFERMAOBMEN1KMT2A
SCHEMBL11046318 0.71 ALDH1A1 (0.55) ALDH1A1GFERMEN1KMT2ATDP1
SCHEMBL10556278 0.71 ALDH1A1 (0.55) ALDH1A1GFERMAOBMEN1KMT2A
SCHEMBL11043863 0.71 ALDH1A1 (0.55) ALDH1A1GFERMAOBMEN1KMT2A
SCHEMBL15318818 0.68 ALDH1A1 (0.57) ALDH1A1MAOBMEN1KMT2ASMN1; SMN2
SCHEMBL6724033 0.67 CYP2A6 (0.68) ALDH1A1CYP19A1
SCHEMBL28772169 0.67 KDM4E (0.50) ALDH1A1MAOBMEN1KMT2ASMN1; SMN2
SCHEMBL6514222 0.67 ALDH1A1 (0.59) ALDH1A1GFERMEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 — — US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 — — US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 — — EP disclosed
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