SCHEMBL28501007

SCHEMBL28501007

Cc1ccc2c(c1)OCCCN2C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
CREBBP Q92793 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NOTUM Q6P988 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.40
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL29171384 0.82 ALDH1A1 (0.45) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL23142269 0.81 KDM4E (0.45) MAPTALDH1A1TSHRCREBBPKDM4E
SCHEMBL10274848 0.79 NOTUM (0.65) MAPTALDH1A1CREBBPMEN1KMT2A
SCHEMBL28560567 0.78 ALDH1A1 (0.47) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL30096479 0.77 AGTR2 (0.39) MAPTNOTUMLMNA
SCHEMBL2704086 0.77 ALDH1A1 (0.49) MAPTALDH1A1TSHRCREBBPPOLB
SCHEMBL13698998 0.76 CYP11B1 (0.43) MAPTALDH1A1TSHRPOLBKMT2A
SCHEMBL11431097 0.76 ALDH1A1 (0.59) MAPTALDH1A1TSHRCREBBPMEN1
SCHEMBL11442963 0.75 ALDH1A1 (0.37) MAPTALDH1A1TSHRCREBBPMEN1
SCHEMBL2704087 0.75 ALDH1A1 (0.50) MAPTALDH1A1TSHRKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511220-B P-diaminobenzene derivatives as potassium channel modulators, process for their preparation and their use in medicine 上海挚盟医药科技有限公司 2022-04-01 CN disclosed
CN-112119079-A P-diaminobenzene derivatives as potassium channel modulators, process for their preparation and their use in medicine 上海挚盟医药科技有限公司 2020-12-22 CN disclosed