SCHEMBL7977027

SCHEMBL7977027

Clc1nsc2c1CCCC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
MAPT P10636 3/20 0.35
OPRK1 P41145 1/20 0.35
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
NPY1R P25929 1/20 0.34
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NSD2 O96028 1/20 0.31
MAPK1 P28482 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL7977043 0.71 RAB9A (0.32) RAB9AMAPTOPRK1NPC1SMN1; SMN2
SCHEMBL11918903 0.71 KDM4E (0.33) RAB9AMAPTOPRK1NPC1SMN1; SMN2
SCHEMBL14030346 0.67 HPGD (0.35)
SCHEMBL11914650 0.67 HTT (0.35) SMN1; SMN2POLBALDH1A1HTTGAA
SCHEMBL14048089 0.67 GLA (0.35) RAB9AMAPTOPRK1POLBALDH1A1
SCHEMBL9077266 0.67
SCHEMBL7980604 0.66 SMN1; SMN2 (0.38) NPC1SMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL587789 0.62 MAPK1 (0.37) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL30101051 0.62 MAPK1 (0.37) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL24379631 0.60 NSD2 (0.35) HTTKMT2ANSD2MAPK1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860990-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2021-08-11 EP disclosed
WO-2020070181-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2020-04-09 WO disclosed
US-6174909-B1 FOR TREATING ANALGESIA, PSYCHOSIS, CONVULSIONS, EPILEPSY, ANXIETY, MUSCULAR AND MOVEMENT DISORDERS, SPASTIC DISORDERS OR SYMPTOMS OF HUNTINGTON'S OR PARKINSONS DISEASE H. LUNDBECK A/S (DK) 2001-01-16 US disclosed
US-5998613-A PSYCHOLOGICAL DISORDERS; ANALGESICS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 1999-12-07 US disclosed
EP-0812318-A1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 1997-12-17 EP disclosed
WO-1996026929-A1 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 1996-09-06 WO disclosed