SCHEMBL30864779

SCHEMBL30864779

CC1=C(C)C(C)Nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ NOS2 P35228 2/20 0.41
▸ PTPN1 P18031 1/20 0.38
▸ TNKS2 Q9H2K2 2/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ HTR5A P47898 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ HSD17B10 Q99714 5/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL7644599 1.00 BRPF1 (0.44) BRPF1CREBBPNOS2PTPN1TNKS2
SCHEMBL10225722 0.78 MAOA (0.35) CREBBPALDH1A1HSD17B10KDM4EHPGD
SCHEMBL13847518 0.71 CREBBP (0.55) BRPF1CREBBPNOS2TNKS2PBRM1
SCHEMBL11879510 0.69 ACVR1 (0.52) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL30570964 0.68 CREBBP (0.50) BRPF1CREBBPNOS2PTPN1HTR5A
SCHEMBL6587899 0.68 CREBBP (0.50) BRPF1CREBBPNOS2PTPN1HTR5A
SCHEMBL21882573 0.67 — —
SCHEMBL9468105 0.65 ALDH1A1 (0.42) BRPF1CREBBPNOS2TNKS2PBRM1
SCHEMBL30074812 0.65 ALDH1A1 (0.42) BRPF1CREBBPNOS2TNKS2PBRM1
SCHEMBL30074810 0.65 ALDH1A1 (0.42) BRPF1CREBBPNOS2TNKS2PBRM1

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-117903503-A Rubber composition with low heat generation and stable dynamic performance, and processing method and application thereof 中国重汽集团济南动力有限公司 2024-04-19 — — CN claimed
CN-117903503-A Rubber composition with low heat generation and stable dynamic performance, and processing method and application thereof 中国重汽集团济南动力有限公司 2024-04-19 — — CN disclosed
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